REMARK  Name = BDB014781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.026   4.412  -1.229  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.881   3.424  -0.475  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.247   2.299   0.039  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.775   2.195   0.125  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.354   0.788   0.348  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.066   0.186   0.372  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.169  -1.124   0.621  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.489  -1.371   0.718  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.237  -0.240   0.601  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.710  -0.095   0.669  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.044   1.394   0.894  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.089   3.628  -0.350  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.067   0.906   0.174  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.032   1.898   0.012  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.427   0.522   0.127  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        1.873  -0.795   0.266  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.239  -1.114   0.215  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        4.205  -0.120   0.024  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        3.764   1.202  -0.114  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        2.400   1.516  -0.062  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.637  -0.440  -0.031  0.00  0.00    +0.093 A 
ATOM     22  N   LIG    1        6.566   0.514  -0.225  0.00  0.00    -0.171 NA
ATOM     23  N   LIG    1        7.738  -0.140  -0.217  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        8.961   0.602  -0.402  0.00  0.00    +0.172 C 
ATOM     25  C   LIG    1        7.614  -1.480  -0.027  0.00  0.00    +0.108 A 
ATOM     26  C   LIG    1        6.265  -1.712   0.098  0.00  0.00    +0.049 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.949  -2.728   0.987  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.284  -3.565  -0.216  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -2.308  -3.734  -1.356  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -3.606  -3.009  -1.584  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5